UCSF

ZINC35644809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 5.71 -52.6 3 4 1 63 299.46 9
Mid Mid (pH 6-8) 3.58 5.87 -57.32 2 4 0 65 298.452 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )